Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
5271898 | Tetrahedron Letters | 2013 | 4 Pages |
We have disclosed a new aspect of Parr's Ï value (Ï = μ2/2η), which was originally proposed as an electrophilicity index, and reformed the Ï value as a useful single scale from electrophilicity to nucleophilicity by introducing the corresponding ε values (ε = μη). The plot of the Ï values against the ε values (Ï-ε correlation) presented a fine parabola for 65 chemical species: the order of the electrophilicity is seen at negative ε values and the order of nucleophilicity is seen at positive ε values.
Graphical abstractParr's Ï values of 65 chemical species were plotted as a function of the newly introduced ε values, Ï = (η/2)ε2 + με. The fine parabola indicates the order of nucleophilicity at positive ε values and the order of electrophilicity at negative ε values.Download full-size image